Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by Te...N chalcogen bonding
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N.N. Vorozhtsov Novosibirsk Institute of Organic Chemistry
of Siberian Branch of Russian Academy of Sciences

10.1039/C9CC08110K

The paper of NIOCh's researcher Andrey V. Zibarev (international collaboration) is published in the journal  Chemical Communications, Vol. 56, Iss. 7, 1113-1116, 2020  (IF 6,29

Bis(2,1,3-benzotelluradiazolidyl)2,1,3-benzotelluradiazole: a pair of radical anions coupled by Te...N chalcogen bonding

Nikolay A. Puskarevsky, Anton I. Smolentsev, Alexey A. Dmitriev, Ignacio Vargas-Baca, Nina P. Gritsan, Jens Beckmann and Andrey V. Zibarev

First published: 17 December 2019

doi: 10.1039/C9CC08110K

2020_ChemCom_56_7_Zibarev

 

Abstract

Reduction of 2,1,3-benzotelluradiazole (3) yielded a crystalline solid that features a trimeric dianion formally composed of two [3]˙− and one 3 bridged by unusually asymmetric Te⋯N chalcogen bonds. The solid is diamagnetic due to strong antiferromagnetic coupling, as revealed by CASSCF/CASPT2 and BS-DFT.

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